4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide

C23H26ClN3O2 — CID 92625757

IUPAC4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide
SMILESC[C@@H]1Cc2cc(CN(C)C(=O)CCCc3nc4cc(Cl)ccc4n3C)ccc2O1
InChIInChI=1S/C23H26ClN3O2/c1-15-11-17-12-16(7-10-21(17)29-15)14-26(2)23(28)6-4-5-22-25-19-13-18(24)8-9-20(19)27(22)3/h7-10,12-13,15H,4-6,11,14H2,1-3H3/t15-/m1/s1
InChIKeyPTQQUNZOLSWPSY-OAHLLOKOSA-N
MW411.93 g/mol
LogP4.53
Rot. Bonds6

About 4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide

4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide (PubChem CID 92625757) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide.

Molecular Properties

Compound Name4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide
PubChem CID92625757
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide
SMILESC[C@@H]1Cc2cc(CN(C)C(=O)CCCc3nc4cc(Cl)ccc4n3C)ccc2O1
InChIInChI=1S/C23H26ClN3O2/c1-15-11-17-12-16(7-10-21(17)29-15)14-26(2)23(28)6-4-5-22-25-19-13-18(24)8-9-20(19)27(22)3/h7-10,12-13,15H,4-6,11,14H2,1-3H3/t15-/m1/s1
InChIKeyPTQQUNZOLSWPSY-OAHLLOKOSA-N
XLogP4.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6-dimethylbenzimidazol-1-yl)-N-methyl-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propanamide
CID 46977733
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]propanoic acid
CID 119912291
N-[(3,4-difluorophenyl)methyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 55558387
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid
CID 119906378
(2S)-N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-(dimethylamino)-3-methylbutanamide
CID 86779822
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 25325137
4-(5-chloro-1-methylbenzimidazol-2-yl)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 46976307
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837982
5-[5-(3-chloropropyl)-1-methylbenzimidazol-2-yl]pentan-2-one
CID 147081851
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 166408298
N-methyl-N-[(4-methylphenyl)methyl]-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide
CID 38046514

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide?
The IUPAC name of 4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide (CID 92625757) is 4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide.
What is the SMILES notation for 4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide?
The canonical SMILES for 4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide is C[C@@H]1Cc2cc(CN(C)C(=O)CCCc3nc4cc(Cl)ccc4n3C)ccc2O1.
What is the InChIKey of 4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide?
The InChIKey is PTQQUNZOLSWPSY-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-15-11-17-12-16(7-10-21(17)29-15)14-26(2)23(28)6-4-5-22-25-19-13-18(24)8-9-20(19)27(22)3/h7-10,12-13,15H,4-6,11,14H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide?
4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide has a molecular weight of 411.93 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1-methylbenzimidazol-2-yl)-N-methyl-N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]butanamide is sourced from PubChem (CID 92625757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).